Geometry & MOs

Info

ID:

124498

PubChem CID:

50885342

Reduced:

N3O3H17C20 (1)

Stoich.:

A3B3C17D20 (1)

Weight, g/mol:

568.158076

ΔHf, kcal/mol:

-28.4

Dipole, Da:

2.51

IP(EA), eV:

 -8.59(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methoxyphenoxy]methoxy]-3-methoxyphenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations